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Thickness dependent penetrant gas transport properties and separation performance within ultrathin polysulfone membrane: Insights from atomistic molecular simulation

Simulation technique has been employed to elucidate the effect of thickness upon confinement to gas transport properties in pure and binary mixtures within ultrathin polysulfone membranes. It is found that the gas diffusivity, solubility, and permeability are improved with increment in membrane thic...

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Main Authors: Lock, S.S.M., Lau, K.K., Shariff, A.M., Yeong, Y.F., Bustam, M.A.
Format: Article
Published: John Wiley and Sons Inc. 2018
Online Access:https://www.scopus.com/inward/record.uri?eid=2-s2.0-85036467247&doi=10.1002%2fpolb.24523&partnerID=40&md5=2ecccdbd17b7aa7e7d48fba9b0c6fd1a
http://eprints.utp.edu.my/20567/
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spelling my.utp.eprints.205672018-07-23T03:19:28Z Thickness dependent penetrant gas transport properties and separation performance within ultrathin polysulfone membrane: Insights from atomistic molecular simulation Lock, S.S.M. Lau, K.K. Shariff, A.M. Yeong, Y.F. Bustam, M.A. Simulation technique has been employed to elucidate the effect of thickness upon confinement to gas transport properties in pure and binary mixtures within ultrathin polysulfone membranes. It is found that the gas diffusivity, solubility, and permeability are improved with increment in membrane thickness, which can be rationalized through bigger free volume in thicker polymeric membranes attributed to diminishing chains relaxation. The effect is found to be exceptionally perceptible in thinner polymeric films beneath 400 à . Accuracy of the simulation methodology has been validated by demonstrating good accordance with actual gas permeability data. As for binary condition, the gas transport properties are demonstrated to be comparatively lower than its pure counterpart due to competitive sorption and barrier for diffusion in the presence of secondary gas molecules. In addition, quantitative re-evaluation of published correlations and establishment of new empirical models have been conducted to associate membrane thickness effect to gas transport characteristics. © 2017 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2018, 56, 131�158. © 2017 Wiley Periodicals, Inc. John Wiley and Sons Inc. 2018 Article PeerReviewed https://www.scopus.com/inward/record.uri?eid=2-s2.0-85036467247&doi=10.1002%2fpolb.24523&partnerID=40&md5=2ecccdbd17b7aa7e7d48fba9b0c6fd1a Lock, S.S.M. and Lau, K.K. and Shariff, A.M. and Yeong, Y.F. and Bustam, M.A. (2018) Thickness dependent penetrant gas transport properties and separation performance within ultrathin polysulfone membrane: Insights from atomistic molecular simulation. Journal of Polymer Science, Part B: Polymer Physics, 56 (2). pp. 131-158. http://eprints.utp.edu.my/20567/
institution Universiti Teknologi Petronas
building UTP Resource Centre
collection Institutional Repository
continent Asia
country Malaysia
content_provider Universiti Teknologi Petronas
content_source UTP Institutional Repository
url_provider http://eprints.utp.edu.my/
description Simulation technique has been employed to elucidate the effect of thickness upon confinement to gas transport properties in pure and binary mixtures within ultrathin polysulfone membranes. It is found that the gas diffusivity, solubility, and permeability are improved with increment in membrane thickness, which can be rationalized through bigger free volume in thicker polymeric membranes attributed to diminishing chains relaxation. The effect is found to be exceptionally perceptible in thinner polymeric films beneath 400 à . Accuracy of the simulation methodology has been validated by demonstrating good accordance with actual gas permeability data. As for binary condition, the gas transport properties are demonstrated to be comparatively lower than its pure counterpart due to competitive sorption and barrier for diffusion in the presence of secondary gas molecules. In addition, quantitative re-evaluation of published correlations and establishment of new empirical models have been conducted to associate membrane thickness effect to gas transport characteristics. © 2017 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2018, 56, 131�158. © 2017 Wiley Periodicals, Inc.
format Article
author Lock, S.S.M.
Lau, K.K.
Shariff, A.M.
Yeong, Y.F.
Bustam, M.A.
spellingShingle Lock, S.S.M.
Lau, K.K.
Shariff, A.M.
Yeong, Y.F.
Bustam, M.A.
Thickness dependent penetrant gas transport properties and separation performance within ultrathin polysulfone membrane: Insights from atomistic molecular simulation
author_facet Lock, S.S.M.
Lau, K.K.
Shariff, A.M.
Yeong, Y.F.
Bustam, M.A.
author_sort Lock, S.S.M.
title Thickness dependent penetrant gas transport properties and separation performance within ultrathin polysulfone membrane: Insights from atomistic molecular simulation
title_short Thickness dependent penetrant gas transport properties and separation performance within ultrathin polysulfone membrane: Insights from atomistic molecular simulation
title_full Thickness dependent penetrant gas transport properties and separation performance within ultrathin polysulfone membrane: Insights from atomistic molecular simulation
title_fullStr Thickness dependent penetrant gas transport properties and separation performance within ultrathin polysulfone membrane: Insights from atomistic molecular simulation
title_full_unstemmed Thickness dependent penetrant gas transport properties and separation performance within ultrathin polysulfone membrane: Insights from atomistic molecular simulation
title_sort thickness dependent penetrant gas transport properties and separation performance within ultrathin polysulfone membrane: insights from atomistic molecular simulation
publisher John Wiley and Sons Inc.
publishDate 2018
url https://www.scopus.com/inward/record.uri?eid=2-s2.0-85036467247&doi=10.1002%2fpolb.24523&partnerID=40&md5=2ecccdbd17b7aa7e7d48fba9b0c6fd1a
http://eprints.utp.edu.my/20567/
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score 13.211869

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